6-chloranyl-7-(4-isocyanophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-(4-isocyanophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-7-(4-isocyanophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 6-chloro-7-(4-isocyanophenoxy)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-(4-isocyanophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-7-(4-isocyanophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C18H9ClF3NO4 MolecularWeight: 395.71657

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)OC2=C(C=C3C=C(C(OC3=C2)C(F)(F)F)C(=O)O)Cl

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)OC2=C(C=C3C=C(C(OC3=C2)C(F)(F)F)C(=O)O)Cl

InChI

InChI=1S/C18H9ClF3NO4/c1-23-10-2-4-11(5-3-10)26-15-8-14-9(7-13(15)19)6-12(17(24)25)16(27-14)18(20,21)22/h2-8,16H,(H,24,25)